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102169-59-5 | 7H-Purin-6-amine, 7-methyl-2-(methylthio)-
CAS No: 102169-59-5 Catalog No: AG0006SK MDL No:
Product Description
Catalog Number:
AG0006SK
Chemical Name:
7H-Purin-6-amine, 7-methyl-2-(methylthio)-
CAS Number:
102169-59-5
Molecular Formula:
C7H9N5S
Molecular Weight:
195.2449
IUPAC Name:
7-methyl-2-methylsulfanylpurin-6-amine
InChI:
InChI=1S/C7H9N5S/c1-12-3-9-6-4(12)5(8)10-7(11-6)13-2/h3H,1-2H3,(H2,8,10,11)
InChI Key:
FRQPHVMKEFVNEW-UHFFFAOYSA-N
SMILES:
CSc1nc(N)c2c(n1)ncn2C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.244g/mol
Monoisotopic Mass:
195.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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